SCHEMBL9874485

SCHEMBL9874485

CCOC(=O)/C=C/c1cccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
FDPS P14324 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOB P27338 1/20 0.44
P2RY12 Q9H244 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP3A4 P08684 2/20 0.43
BACE1 P56817 2/20 0.42
PTGS2 P35354 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9874488 1.00 TTR (0.47) TTRDPP4FDPSCA12CA1
SCHEMBL9870552 0.87 TTR (0.44) TTRFDPSCA12CA1CA2
SCHEMBL9870550 0.87 TTR (0.44) TTRFDPSCA12CA1CA2
SCHEMBL9874052 0.86 CA12 (0.55) TTRDPP4FDPSCA12CA1
SCHEMBL9874060 0.86 CA12 (0.55) TTRDPP4FDPSCA12CA1
SCHEMBL9871024 0.82 PIM2 (0.49) ALDH1A1
SCHEMBL9873211 0.82 CYP1A2 (0.38) MAOBCYP1A2CYP2C9
SCHEMBL9871021 0.82 PIM2 (0.49) ALDH1A1
SCHEMBL9336274 0.82 CYP1A2 (0.38) MAOBCYP1A2CYP2C9
SCHEMBL9873206 0.78 TP53 (0.48) NPC1RAB9AMAPTALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed